Download Latest Version
Version 0.8.0.zip (4.1 MB)
Get an email when there's a new version of chemfiles
| Name | Modified | Size | Downloads / Week |
|---|---|---|---|
| Parent folder | |||
| README.md | 2017-12-14 | 979 Bytes | |
| Version 0.8.0.tar.gz | 2017-12-14 | 3.8 MB | |
| Version 0.8.0.zip | 2017-12-14 | 4.1 MB | |
| Totals: 3 Items | 7.9 MB | 0 | |
This is a new major iteration of the Chemfiles interface, bringing a lot of interesting changes!
- License was changed to BSD for easier integration in external code, both commercial and open source.
- Four new formats are supported (LAMMPS Data, Tinker, MOL2, and Molden), and NetCDF format is now always activated.
- Chemfiles will now read configuration files in in
.chemfilesrc. Atomic types matching given atomic names can be configured. FrameandAtomcan now have arbitraryPropertystoring additional data.- As well as a ton of smaller bug fixes and improvement. You can learn about all of them in the [CHANGELOG](https://github.com/chemfiles/chemfiles/blob/release-0.8/CHANGELOG.md#08.
Many thanks to @pgbarletta, @lscalfi @frodofine and @g-bauer for their contributions to this release, either in chemfiles or the bindings!